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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:LSM-5805
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Accession:CHEBI:94726 term browser browse the term
Definition:A peptide ergot alkaloid that has formula C32H40BrN5O5.
Synonyms:related_synonym: Formula=C32H40BrN5O5;   InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23+,24+,25-,31-,32+/m1/s1;   InChIKey=OZVBMTJYIDMWIL-JVOFPJAOSA-N;   SMILES=CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O
 xref: LINCS:LSM-5805


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Term Annotations click to browse term
  CHEBI ontology 24381
    role 24291
      biological role 24258
        biochemical role 23647
          metabolite 23566
            alkaloid 5570
              indole alkaloid 1913
                terpenoid indole alkaloid 1528
                  hemiterpenoid indole alkaloid 27
                    ergot alkaloid 27
                      peptide ergot alkaloid 5
                        LSM-5805 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24381
    subatomic particle 24338
      composite particle 24338
        hadron 24338
          baryon 24338
            nucleon 24338
              atomic nucleus 24338
                atom 24338
                  main group element atom 24185
                    p-block element atom 24185
                      p-block molecular entity 24178
                        carbon group molecular entity 23965
                          organic molecular entity 23925
                            organic group 22218
                              cyclic organic group 1913
                                organic heterobicyclic ring 1913
                                  indole skeleton 1913
                                    indole alkaloid 1913
                                      terpenoid indole alkaloid 1528
                                        hemiterpenoid indole alkaloid 27
                                          ergot alkaloid 27
                                            peptide ergot alkaloid 5
                                              LSM-5805 0
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